Information card for entry 4305739

Structure parameters

• Formula: C60 H51 Cu19 I4 N12 S15
• Calculated formula: C60 H48 Cu19 I4 N12 S15
• Title of publication: Cu6S4 Cluster Based Twelve-Connected Face-Centered Cubic and Cu19I4S12 Cluster Based Fourteen-Connected Body-Centered Cubic Topological Coordination Polymers
• Authors of publication: Zheng-Ming Hao; Rui-Qin Fang; Hai-Shun Wu; Xian-Ming Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8197 - 8203
• a: 15.9737 ± 0.0004 Å
• b: 15.9737 ± 0.0004 Å
• c: 15.9737 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4075.83 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No